| SpectraBase Spectrum ID |
HR4uNE4YDWS |
| Name |
Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, eicosyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
599.396157220 u |
| Formula |
C34H53F4NO3 |
| InChI |
InChI=1S/C34H53F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-42-33(41)28-20-22-39(23-21-28)32(40)29-25-30(34(36,37)38)27-31(35)26-29/h25-28H,2-24H2,1H3 |
| InChIKey |
FIYHSLOAWXUZLW-UHFFFAOYSA-N |
| Molecular Weight |
599.796 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC(=C2)F)=O)CC1)=O |
